4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide

C15H20ClNO4S — CID 16800173

IUPAC4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1COC2(CCCCC2)O1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO4S/c16-12-4-6-14(7-5-12)22(18,19)17-10-13-11-20-15(21-13)8-2-1-3-9-15/h4-7,13,17H,1-3,8-11H2
InChIKeyWGEQCVBDBTWFAT-UHFFFAOYSA-N
MW345.85 g/mol
LogP2.69
Rot. Bonds4

About 4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide

4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide (PubChem CID 16800173) has the molecular formula C15H20ClNO4S and a molecular weight of 345.85 g/mol. Its IUPAC name is 4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide
PubChem CID16800173
Molecular FormulaC15H20ClNO4S
Molecular Weight345.85 g/mol
Exact Mass345.08
IUPAC Name4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1COC2(CCCCC2)O1)c1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO4S/c16-12-4-6-14(7-5-12)22(18,19)17-10-13-11-20-15(21-13)8-2-1-3-9-15/h4-7,13,17H,1-3,8-11H2
InChIKeyWGEQCVBDBTWFAT-UHFFFAOYSA-N
XLogP2.69
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide (CID 16800173) is 4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCC1COC2(CCCCC2)O1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide?
The InChIKey is WGEQCVBDBTWFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO4S/c16-12-4-6-14(7-5-12)22(18,19)17-10-13-11-20-15(21-13)8-2-1-3-9-15/h4-7,13,17H,1-3,8-11H2.
What are the key properties of 4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide?
4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide has a molecular weight of 345.85 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 16800173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).